Collisional moderation by foreign gases in the reaction of SiH3+ with C2H4

Positive Ion Chemistry of SiH4/NF3 Gaseous Mixtures Studied by Ion Trap Mass Spectrometry

“…[7][8][9] the rate constants, the thermochemistry, and the mechanistic aspects of the ionic processes occurring in ionised SiH 4 have been discussed, in particular, in two series of benchmark experimental [10][11][12][13][14][15] and theoretical [16][17][18][19] studies. the ion chemistry occurring in SiH 4 -based mixtures has been also investigated with considerable interest (especially by Lambert and co-workers), [20][21][22][23][24][25][26][27][28][29][30][31][32][33][34][35][36][37] related also to the role of ionic species in the formation of electronic and optoelectronic materials by chemical vapour deposition techniques. 38 In particular, to investigate the conceivable contribution of Si-c ion clusters and Si-c ionic species "doped" with N or P atoms in the formation of photovoltaic silicon carbides, [39][40][41] some of us have extensively studied the ionic reactions occurring in binary [42][43][44][45][46][47][48][49] and ternary mixt...…”

Gas‐phase reactions of SiHn+ (n = 1,2) with NF3: A computational investigation on the detailed mechanistic aspects

“…Using this (10,8) active space we performed a series of full geometry optimizations at fixed values of the N-F1 distance of 2a, which was step-by-step increased from 1.50 Å to 8 Å . With reference to the SiH þ and NF 3 reactants, we included in particular the three sp hybrid orbitals of the Si atom (one filled and two empty for the singlet state, two singly occupied and one empty for the triplet state), and five orbitals of NF 3 , namely a pair of bonding and antibonding NAF sigma orbitals (r N-F and r* N-F ), two p orbitals of the fluorine atom (viz.…”

“…[1] Thus, over the years, the gasphase ion chemistry of binary and ternary mixtures containing SiH 4 and hydrogen, [2] hydrocarbons, [3][4][5][6][7][8][9][10][11][12][13][14][15][16] water, [17] inorganic oxides, [18,19] ammonia, [20][21][22][23][24] phosphine, [25][26][27][28][29] and halocarbons [30][31][32] was investigated by various experimental and theoretical methods. [1] Thus, over the years, the gasphase ion chemistry of binary and ternary mixtures containing SiH 4 and hydrogen, [2] hydrocarbons, [3][4][5][6][7][8][9][10][11][12][13][14][15][16] water, [17] inorganic o...…”

Positive Ion Chemistry of SiH4/GeF4 Gaseous Mixtures Studied by Ion Trap Mass Spectrometry and Ab Initio Calculations

“…these systems are, in fact, employed to deposit electronic and opto-electronic materials by chemical vapour deposition techniques, 1 and it is of interest to investigate the conceivable role of ionic species in the early stages of the polymerisation. thus, over the last four decades, numerous experimental and theoretical studies have been reported concerning the ion-molecule reactions occurring in ionised SiH 4 , [2][3][4][5][6][7][8][9][10][11][12] and in mixtures of SiH 4 with hydrogen, 13 hydrocarbons, [14][15][16][17][18][19][20][21][22] inorganic oxides, 23,24 water 25 and ammonia. 26,27 In particular, to investigate the contribution of Si-c ion clusters and Si-c ionic species "doped" with N or P atoms in the formation of photovoltaic silicon carbides, [28][29][30] some of us extensively studied the ionic reactions occurring in binary [31][32][33][34][35][36][37][38] and ternary mixtures [39][40][41][42][43][44] cont...…”